[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol

C19H15FN4O — CID 58514824

IUPAC[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnn(Cc4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H15FN4O/c20-16-7-3-13(4-8-16)11-24-19-18(22-23-24)10-9-17(21-19)15-5-1-14(12-25)2-6-15/h1-10,25H,11-12H2
InChIKeyMURJOSYVAGPAQD-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.17
Rot. Bonds4

About [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol

[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol (PubChem CID 58514824) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
PubChem CID58514824
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnn(Cc4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C19H15FN4O/c20-16-7-3-13(4-8-16)11-24-19-18(22-23-24)10-9-17(21-19)15-5-1-14(12-25)2-6-15/h1-10,25H,11-12H2
InChIKeyMURJOSYVAGPAQD-UHFFFAOYSA-N
XLogP3.17
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
The IUPAC name of [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol (CID 58514824) is [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
The canonical SMILES for [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol is OCc1ccc(-c2ccc3nnn(Cc4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
The InChIKey is MURJOSYVAGPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-16-7-3-13(4-8-16)11-24-19-18(22-23-24)10-9-17(21-19)15-5-1-14(12-25)2-6-15/h1-10,25H,11-12H2.
What are the key properties of [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol?
[4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol has a molecular weight of 334.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol is sourced from PubChem (CID 58514824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).